6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-5-(isoquinolin-1-ylcarbonylamino)-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-5-(isoquinolin-1-ylcarbonylamino)-6-oxidanylidene-hexanoic acid Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-5-(isoquinoline-1-carbonylamino)-6-oxo-hexanoic acid CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-5-[[1-isoquinolinyl(oxo)methyl]amino]-6-oxohexanoic acid IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-5-(isoquinoline-1-carbonylamino)-6-oxohexanoic acid Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-5-(isoquinoline-1-carbonylamino)-6-keto-hexanoic acid Formula: C32H47N3O6 MolecularWeight: 569.73208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)C1=NC=CC2=CC=CC=C21

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)C1=NC=CC2=CC=CC=C21

InChI

InChI=1S/C32H47N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-17-25(23-28(33)36)41-32(40)27(19-15-20-29(37)38)35-31(39)30-26-18-14-13-16-24(26)21-22-34-30/h13-14,16,18,21-22,25,27H,2-12,15,17,19-20,23H2,1H3,(H2,33,36)(H,35,39)(H,37,38)